Molecule ID: mol9431
SMILES: O=C(O)C1CC(O)CN1
InChI: InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.82 | QSARToolbox | 1 » 0 |
| 1.92 | QSARToolbox | 1 » 0 |
| 1.92 | QSARToolbox | 1 » 0 |
| 1.92 | QSARToolbox | 1 » 0 |
| 1.92 | QSARToolbox | 1 » 0 |
| 1.92 | OCHEM | 1 » 0 |
| 1.92 | OCHEM | 1 » 0 |
| 9.64 | OCHEM | 0 » -1 |
| 9.70 | IUPAC digitized pKa | 0 » -1 |
| 9.70 | OCHEM | 0 » -1 |
| 9.73 | QSARToolbox | 0 » -1 |